Geometry & MOs

Info

ID:	15050
PubChem CID:	427962
Reduced:	NSO6C15H15 (1)
Stoich.:	ABC6D15E15 (1)
Weight, g/mol:	337.062008
ΔH_f, kcal/mol:	-201.24
Dipole, Da:	7.72
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-(benzenesulfonyl)-4,5-dihydroxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC(=C2O)O)CC(C(=O)O)N

DOS

IR

Vibrations